613-91-2

苯乙酮肟(613-91-2)質(zhì)譜(MS)

產(chǎn)品名稱:苯乙酮肟

CAS:613-91-2

分子式:C8H9NO

分子量: 135.16

InChI:InChI=1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3

InChIKey: JHNRZXQVBKRYKN-UHFFFAOYSA-N

Smiles:C(=NO)(C1=CC=CC=C1)C

Mass

MS-NW-4851          
acetophenone oxime
C8H9NO              (Mass of molecular ion:    135)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.8
      17.0       1.1
      18.0       5.2
      27.0       3.4
      28.0       1.9
      37.0       1.3
      38.0       2.4
      39.0       6.3
      40.0       1.5
      41.0       1.3
      42.0       7.9
      43.0       8.3
      50.0      10.8
      51.0      31.0
      52.0       4.4
      59.0       1.1
      62.0       1.4
      63.0       3.1
      64.0       1.0
      65.0       5.5
      66.0       8.2
      74.0       2.9
      75.0       2.7
      76.0       7.5
      77.0     100.0
      78.0      24.4
      79.0       3.0
      89.0       1.8
      90.0       1.4
      91.0       4.6
      92.0       2.9
      93.0       1.9
      94.0      15.3
      95.0       1.1
     102.0       1.8
     103.0      15.9
     104.0      17.2
     105.0      62.5
     106.0      10.8
     107.0       3.7
     117.0       1.8
     118.0       8.4
     119.0       9.1
     120.0      16.9
     121.0       1.6
     134.0       6.3
     135.0      40.0
     136.0       3.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₉ N O	0.02 ml : 0.5 ml CDCl₃
acetophenone oxime

    Assign.     Shift(ppm)

      A             2.299
      B             2.599
      C             7.
      D          7.27 to 8.03

     Hz     ppm     Int.

    717.44   8.011     45
    715.88   7.994     42
    707.69   7.902     56
    687.88   7.681     53
    684.50   7.643     56
    683.94   7.637     44
    682.31   7.619     56
    680.75   7.602     69
    679.38   7.586     59
    677.94   7.570    103
    674.13   7.528     56
    672.31   7.507     92
    666.88   7.447     44
    666.13   7.438     50
    664.75   7.423     93
    663.88   7.413     48
    662.81   7.401    136
    661.56   7.387     71
    660.38   7.374     74
    659.38   7.363    136
    658.31   7.351     66
    657.81   7.345     61
    656.13   7.327    146
    232.75   2.599    621
    205.88   2.299   1000

in CDCl3